3-(2,5-dimethylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(2,5-dimethylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(2,5-dimethylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
Compound ID: | G856-1334 |
Compound Name: | 3-(2,5-dimethylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
Molecular Weight: | 439.54 |
Molecular Formula: | C26 H21 N3 O2 S |
Smiles: | Cc1ccc(C)c(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.1054 |
logD: | 5.1054 |
logSw: | -5.1474 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.064 |
InChI Key: | AVNBDNDSSFLBFR-UHFFFAOYSA-N |